Acetone → HCID 57460976, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]([CH2:27][CH2:28][CH3:29])[n:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7](=[O:11])[c:8]1[CH:9]=[CH2:10].[CH3:36][C:37](=[O:38])[CH3:39].[I+3:30]([O-:31])([O-:32])([O-:33])[O-:34].[Na+:35]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]([CH2:27][CH2:28][CH3:29])[n:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7](=[O:11])[c:8]1[CH:9]=[O:31]Participants
5
Sources & evidence
- ORD record
- ord-b8c4c88c21dc4d9ba0cab64c85a27afb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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